Ethanol → Methyl 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

HRID 1231766Notes

Reaction equation

HRID 1231766 reaction equation
[B:17]([O-:18])([O-:31])[O:32][c:19]1[cH:20][cH:21][c:22]([N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[cH:23][cH:24]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH3:15])[CH2:9][CH2:10][S:11]2.[C:33](=[O:34])([O-:35])[O-:36].[CH2:40]([OH:41])[CH3:42].[K+:37].[K+:38].[OH2:39].[c:43]1([CH3:44])[cH:45][cH:46][cH:47][cH:48][cH:49]1>>[c:2]1(-[c:19]2[cH:20][cH:21][c:22]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[cH:23][cH:24]2)[cH:3][cH:4][c:5]2[c:6]([cH:16]1)[CH:7]=[C:8]([C:12](=[O:13])[O:14][CH3:15])[CH2:9][CH2:10][S:11]2

Participants

8

Reactant 7

HCID 702EthanolHCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 18472606HCID 18472606, compoundHCID 867561794-Morpholinophenyl borate

Product 1

HCID 18472523Methyl 7-(4-morpholinophenyl)-2,3-dihydro-1-benzothiepine-4-carboxylate

Sources & evidence

ORD record
ord-2d94c70690794c339ad02b74ade23943
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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